SCHEMBL5116455

SCHEMBL5116455

CCn1ncc2c(-c3cncc(Br)c3)c(C=O)c(C3CCCC3)nc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 3/20 0.32
PDE5A O76074 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
PDE4B Q07343 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4776109 0.96 MAT2A (0.34) MAT2A
SCHEMBL4778900 0.89 SIGMAR1 (0.35) MAT2APDE5APDE1APDE1BPDE1C
SCHEMBL4776507 0.89 SIGMAR1 (0.37) MAT2APDE5APDE1APDE1BPDE1C
SCHEMBL4776080 0.88 SIGMAR1 (0.36) MAT2APDE5APDE1APDE1BPDE1C
SCHEMBL4770168 0.87 MAT2A (0.33) MAT2APDE5APDE4B
SCHEMBL4770157 0.87 MAT2A (0.33) MAT2APDE5APDE4B
SCHEMBL4774875 0.85 MAT2A (0.35) MAT2APDE1APDE1BPDE1C
SCHEMBL4774982 0.84 PSEN1 (0.35) MAT2A
SCHEMBL27662625 0.83 PDE5A (0.33) MAT2APDE5APDE4B
SCHEMBL27662623 0.83 MAT2A (0.35) MAT2APDE5APDE4B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459451-B2 e.g. 1-Ethyl-4-(5-methyl-3-pyridyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid; phosphodiesterase (PDE)-IV inhibitor or tumor necrosis factor (TNF)- alpha antagonist; autoimmune diseases, antidepressant, anxiolytic agent; polychondritis, scleroderma, fibrosis, arthritis, Alzheimer's disease ASTELLAS PHARMA INC. (JP) 2008-12-02 US disclosed
US-20060004003-A1 Pyrazolopyridine derivatives ASTELLAS PHARMA INC. (JP) 2006-01-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060004003-A1 Pyrazolopyridine derivatives PDE4A, PDE3B, PDE5A MAT2A 3361/4885PDE5A 3/4885PDE1A 21/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.